N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoranyl-4-(C-piperidin-1-ylcarbonimidoyl)benzamide

Systemtic Name: N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoranyl-4-(C-piperidin-1-ylcarbonimidoyl)benzamide Openeye Name: N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide CAS Name: N-[2-[(4-ethynylanilino)-oxomethyl]-4-methoxyphenyl]-2-fluoro-4-[imino(1-piperidinyl)methyl]benzamide IUPAC Name: N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide Traditional Name: N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide Formula: C29H27FN4O3 MolecularWeight: 498.548083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=N)N3CCCCC3)F)C(=O)NC4=CC=C(C=C4)C#C

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=N)N3CCCCC3)F)C(=O)NC4=CC=C(C=C4)C#C

InChI

InChI=1S/C29H27FN4O3/c1-3-19-7-10-21(11-8-19)32-29(36)24-18-22(37-2)12-14-26(24)33-28(35)23-13-9-20(17-25(23)30)27(31)34-15-5-4-6-16-34/h1,7-14,17-18,31H,4-6,15-16H2,2H3,(H,32,36)(H,33,35)